ethyl 4-[4-[ethyl(phenyl)sulfamoyl]-2-nitro-phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[ethyl(phenyl)sulfamoyl]-2-nitro-phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-[ethyl(phenyl)sulfamoyl]-2-nitro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[ethyl(phenyl)sulfamoyl]-2-nitrophenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[ethyl(phenyl)sulfamoyl]-2-nitrophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[ethyl(phenyl)sulfamoyl]-2-nitro-phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O6S/c1-3-24(17-8-6-5-7-9-17)32(29,30)18-10-11-19(20(16-18)25(27)28)22-12-14-23(15-13-22)21(26)31-4-2/h5-11,16H,3-4,12-15H2,1-2H3